PubChem Compounds Scraper
Pricing
from $0.96 / 1,000 item extracteds
Resolve PubChem compounds in batches by CID, name, SMILES, InChI, or formula. Export normalized identity, structures, molecular properties, bounded synonyms, input resolution, and official source provenance.
You can access the PubChem Compounds Scraper programmatically from your own applications by using the Apify API. You can also choose the language preference from below. To use the Apify API, you’ll need an Apify account and your API token, found in API & Integrations in Apify Console.
1from apify_client import ApifyClient2
3# Initialize the ApifyClient with your Apify API token4# Replace '<YOUR_API_TOKEN>' with your token.5client = ApifyClient("<YOUR_API_TOKEN>")6
7# Prepare the Actor input8run_input = {9 "compounds": [10 {11 "value": "aspirin",12 "type": "name",13 },14 {15 "value": "2244",16 "type": "cid",17 },18 {19 "value": "C8H9NO2",20 "type": "formula",21 },22 ],23 "maxItems": 10,24 "maxResultsPerInput": 5,25 "maxSynonyms": 20,26}27
28# Run the Actor and wait for it to finish29run = client.actor("automation-lab/pubchem-compound-batch-lookup").call(run_input=run_input)30
31# Fetch and print Actor results from the run's dataset (if there are any)32print(f"💾 Check your data here: https://console.apify.com/storage/datasets/{run.default_dataset_id}")33for item in client.dataset(run.default_dataset_id).iterate_items():34 print(item)35
36# 📚 Want to learn more 📖? Go to → https://docs.apify.com/api/client/python/docs/quick-startThe Apify API client for Python is the official library that allows you to use PubChem Compounds Scraper API in Python, providing convenience functions and automatic retries on errors.
Install the apify-client
$pip install apify-clientOther API clients include: